3-(1-ethoxyethoxy)oct-1-ene

C12H24O2 — CID 90476846

IUPAC3-(1-ethoxyethoxy)oct-1-ene
SMILESC=CC(CCCCC)OC(C)OCC
InChIInChI=1S/C12H24O2/c1-5-8-9-10-12(6-2)14-11(4)13-7-3/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyCKJJKXMOGGMNHK-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.52
Rot. Bonds9

About 3-(1-ethoxyethoxy)oct-1-ene

3-(1-ethoxyethoxy)oct-1-ene (PubChem CID 90476846) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)oct-1-ene.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)oct-1-ene
PubChem CID90476846
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(1-ethoxyethoxy)oct-1-ene
SMILESC=CC(CCCCC)OC(C)OCC
InChIInChI=1S/C12H24O2/c1-5-8-9-10-12(6-2)14-11(4)13-7-3/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyCKJJKXMOGGMNHK-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)oct-1-ene?
The IUPAC name of 3-(1-ethoxyethoxy)oct-1-ene (CID 90476846) is 3-(1-ethoxyethoxy)oct-1-ene.
What is the SMILES notation for 3-(1-ethoxyethoxy)oct-1-ene?
The canonical SMILES for 3-(1-ethoxyethoxy)oct-1-ene is C=CC(CCCCC)OC(C)OCC.
What is the InChIKey of 3-(1-ethoxyethoxy)oct-1-ene?
The InChIKey is CKJJKXMOGGMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-8-9-10-12(6-2)14-11(4)13-7-3/h6,11-12H,2,5,7-10H2,1,3-4H3.
What are the key properties of 3-(1-ethoxyethoxy)oct-1-ene?
3-(1-ethoxyethoxy)oct-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)oct-1-ene is sourced from PubChem (CID 90476846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).